CID 3058908

Brn 5109891

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₄S

SMILES

CN(C)N1C(=O)C2=C(C=CC(=C2)S(=O)(=O)N)NC1=O

InChI

InChI=1S/C10H12N4O4S/c1-13(2)14-9(15)7-5-6(19(11,17)18)3-4-8(7)12-10(14)16/h3-5H,1-2H3,(H,12,16)(H2,11,17,18)

InChIKey

ALOBFJKPTJQBQW-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-2,4-dioxo-1H-quinazoline-6-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.05792 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.065196	158.7
[M+Na]+	307.047138	169.4
[M-H]-	283.050644	161.3
[M+NH4]+	302.091743	172.8
[M+K]+	323.021078	165.5
[M+H-H2O]+	267.055180	151.7
[M+HCOO]-	329.056121	175.0
[M+CH3COO]-	343.071771	202.2
[M+Na-2H]-	305.032586	164.2
[M]+	284.05737142	161.8
[M]-	284.05846858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.